5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid

C15H11ClO3 — CID 69167894

IUPAC5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)cc2c1OCC2
InChIInChI=1S/C15H11ClO3/c16-12-3-1-9(2-4-12)11-7-10-5-6-19-14(10)13(8-11)15(17)18/h1-4,7-8H,5-6H2,(H,17,18)
InChIKeyFKSGLWPWEMLGIK-UHFFFAOYSA-N
MW274.70 g/mol
LogP3.64
Rot. Bonds2

About 5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid

5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid (PubChem CID 69167894) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid
PubChem CID69167894
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)cc2c1OCC2
InChIInChI=1S/C15H11ClO3/c16-12-3-1-9(2-4-12)11-7-10-5-6-19-14(10)13(8-11)15(17)18/h1-4,7-8H,5-6H2,(H,17,18)
InChIKeyFKSGLWPWEMLGIK-UHFFFAOYSA-N
XLogP3.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methylphenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 69166433
5-(1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 69167751
7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 83886439
5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 10058395
7-(4-phenylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 69168067
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-hydroxymethyl]benzoic acid
CID 104546150
4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid
CID 114746359
2-chloro-5-(3,4-dihydro-2H-chromen-6-yl)benzoic acid
CID 61026274
2-[7-(4-chlorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl]acetic acid
CID 21268622
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylphenyl)ethanone
CID 104544807
2-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-oxoethoxy]acetic acid
CID 104545039

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid (CID 69167894) is 5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2)cc2c1OCC2.
What is the InChIKey of 5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid?
The InChIKey is FKSGLWPWEMLGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c16-12-3-1-9(2-4-12)11-7-10-5-6-19-14(10)13(8-11)15(17)18/h1-4,7-8H,5-6H2,(H,17,18).
What are the key properties of 5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid?
5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid has a molecular weight of 274.70 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid is sourced from PubChem (CID 69167894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).